| CAS Number | 59188-53-3 |
| Catalog Number | AG00EDL9(AGN-PC-0SRN4G) |
| Chemical Name | Z-Arg-pNA HCl |
| IUPAC Name | benzyl N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamate;hydrochloride |
| InChI | InChI=1S/C20H24N6O5.ClH/c21-19(22)23-12-4-7-17(25-20(28)31-13-14-5-2-1-3-6-14)18(27)24-15-8-10-16(11-9-15)26(29)30;/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,24,27)(H,25,28)(H4,21,22,23);1H/t17-;/m0./s1 |
| InChI Key | YODAFEYYSLICID-LMOVPXPDSA-N |
| MDL Number | MFCD00058247 |
| Molecular Formula | C20H25ClN6O5 |
| Molecular Weight | 464.9027 |
| SMILES | O=C([C@@H](NC(=O)OCc1ccccc1)CCCNC(=N)N)Nc1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 59188-53-3,
Z-L-Arg-pNA*HCl,
Z-Arg-pNA HCl,
Z-L-arginine-4-nitroanilide hydrochloride,
Z-Arg-pNA?Cl,
Z-ARG-PNA.HCL,
C20H25ClN6O5,
SCHEMBL10884941,
CTK8G3852,
DTXSID00542374,
N-alpha-Benzyloxycarbonyl-L-arginine-p-nitroanilide hydrochloride,
MFCD00058247,
AKOS030242495,
FT-0774312,
X5772,
Z-ARG-PNA inverted exclamation mark currencyHCL,
188Z533,
C-46142,
(S)-benzyl 5-guanidino-1-(4-nitrophenylamino)-1-oxopentan-2-ylcarbamate hydrochloride,
Benzyl [(2S)-5-[(diaminomethylidene)amino]-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamate--hydrogen chloride (1/1),
Nalpha-Z-L-arginine-4-nitroanilide hydrochloride,
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| Complexity | 620 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 464.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 464.907g/mol |
| Monoisotopic Mass | 464.157g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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